2-hydroxyethyl 4-azanyl-3-bromanyl-5-[[1-chloranylheptyl(ethyl)amino]methyl]benzoate

Systemtic Name: 2-hydroxyethyl 4-azanyl-3-bromanyl-5-[[1-chloranylheptyl(ethyl)amino]methyl]benzoate Openeye Name: 2-hydroxyethyl 4-amino-3-bromo-5-[[1-chloroheptyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[1-chloroheptyl(ethyl)amino]methyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-amino-3-bromo-5-[[1-chloroheptyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[1-chloroheptyl(ethyl)amino]methyl]benzoic acid 2-hydroxyethyl ester Formula: C19H30BrClN2O3 MolecularWeight: 449.8101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(N(CC)CC1=C(C(=CC(=C1)C(=O)OCCO)Br)N)Cl

Isomeric SMILES

CCCCCCC(N(CC)CC1=C(C(=CC(=C1)C(=O)OCCO)Br)N)Cl

InChI

InChI=1S/C19H30BrClN2O3/c1-3-5-6-7-8-17(21)23(4-2)13-15-11-14(12-16(20)18(15)22)19(25)26-10-9-24/h11-12,17,24H,3-10,13,22H2,1-2H3